2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C17H20FN5O2 — CID 133141620

IUPAC2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(CCOc4ncccn4)CCO3)C2)nc1
InChIInChI=1S/C17H20FN5O2/c18-14-9-21-15(22-10-14)23-11-17(12-23)8-13(3-7-25-17)2-6-24-16-19-4-1-5-20-16/h1,4-5,9-10,13H,2-3,6-8,11-12H2
InChIKeyHITVZRPJBRCVFM-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.86
Rot. Bonds5

About 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133141620) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133141620
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(CC(CCOc4ncccn4)CCO3)C2)nc1
InChIInChI=1S/C17H20FN5O2/c18-14-9-21-15(22-10-14)23-11-17(12-23)8-13(3-7-25-17)2-6-24-16-19-4-1-5-20-16/h1,4-5,9-10,13H,2-3,6-8,11-12H2
InChIKeyHITVZRPJBRCVFM-UHFFFAOYSA-N
XLogP1.86
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

(3R,5R)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489008
(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489009
(3S,5R)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124521861
(3S,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124521862
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124781648
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124781649
(8R)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783382
(8S)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783383
2-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide
CID 124804003
2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide
CID 124804004
9-(5-Fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131644580
2-(5-Fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131648866

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 133141620) is 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is Fc1cnc(N2CC3(CC(CCOc4ncccn4)CCO3)C2)nc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is HITVZRPJBRCVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-14-9-21-15(22-10-14)23-11-17(12-23)8-13(3-7-25-17)2-6-24-16-19-4-1-5-20-16/h1,4-5,9-10,13H,2-3,6-8,11-12H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 345.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133141620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).